| SpectraBase Compound ID | BFTQd9Z41Y4 |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h5-8H2,1-4H3 |
| InChIKey | HTOAQPONCSAVNJ-UHFFFAOYSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZoQ7JJ3AX6 |
|---|---|
| Name | 1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h5-8H2,1-4H3 |
| InChIKey | HTOAQPONCSAVNJ-UHFFFAOYSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C1CCC(C(=C1C)C(OCC)=O)(C)C |